Can you send me the file? What version of Avogadro are you using? Thanks very much, -Geoff
> On Jul 23, 2015, at 2:58 AM, James Mao <xjames...@gmail.com> wrote: > > Yes cif file has all the information. It is quite straight forward to convert > the format, but I did not find the option in Open Babel. > > James > <> > From: Geoffrey Hutchison [mailto:geoff.hutchi...@gmail.com] > Sent: Wednesday, July 22, 2015 9:07 PM > To: avogadro-discuss@lists.sourceforge.net > Subject: Re: [Avogadro-Discuss] Cif file > >> It seems Avogadro always generate cif files with “ _atom_site_Cartn_“ form. >> Is there any option to save/convert it to “_atom_site_fract_“ form? > > Does your system in Avogadro have a unit cell defined? If there's no unit > cell information, I don't think Avogadro (or more accurately Open Babel can > convert to fractional space). > > -Geoff > > ------------------------------------------------------------------------------ > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > <mailto:Avogadro-Discuss@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > <https://lists.sourceforge.net/lists/listinfo/avogadro-discuss>
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